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6Y1C
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BU of 6y1c by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant D54F
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-02-11
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
6Y0Z
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BU of 6y0z by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126K
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-02-10
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
6Y10
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BU of 6y10 by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126H
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, R-specific alcohol dehydrogenase
Authors:Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-02-10
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
6H07
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BU of 6h07 by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase
Authors:Hermann, J, Nowotny, P, Biggel, P, Schneider, S, Hekmat, D, Weuster-Botz, D.
Deposit date:2018-07-06
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6H1M
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BU of 6h1m by Molmil
Neutron structure of Lactobacillus brevis alcohol dehydrogenase
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase
Authors:Hermann, J, Nowotny, P, Schrader, T.E, Biggel, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2018-07-12
Release date:2018-12-12
Last modified:2024-01-24
Method:NEUTRON DIFFRACTION (2.15 Å)
Cite:Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways.
Acta Crystallogr F Struct Biol Commun, 74, 2018
7A2B
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BU of 7a2b by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q207D
Descriptor: MAGNESIUM ION, R-specific alcohol dehydrogenase
Authors:Bischoff, D, Hermann, J, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-08-17
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
6Y15
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BU of 6y15 by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant T102E_Q126K
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, R-specific alcohol dehydrogenase
Authors:Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-02-11
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization.
Biotechnol J, 15, 2020
6Y1B
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BU of 6y1b by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant K32A_Q126K
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-02-11
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization.
Biotechnol J, 15, 2020
6Y0S
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BU of 6y0s by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant T102E
Descriptor: MAGNESIUM ION, R-specific alcohol dehydrogenase
Authors:Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-02-10
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization.
Biotechnol J, 15, 2020
6HLF
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BU of 6hlf by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant - K32A
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase
Authors:Hermann, J, Nowotny, P, Schneider, S, Hekmat, D, Weuster-Botz, D.
Deposit date:2018-09-11
Release date:2018-12-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Rational Crystal Contact Engineering of Lactobacillus brevis Alcohol Dehydrogenase To Promote Technical Protein Crystallization
Cryst.Growth Des., 2019
3ZEP
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BU of 3zep by Molmil
Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor
Descriptor: 2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK3
Authors:Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M.
Deposit date:2012-12-06
Release date:2013-12-11
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of a Series of Novel 5H-Pyrrolo[2,3-B]Pyrazine-2-Phenyl Ethers, as Potent Jak3 Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I6Q
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BU of 4i6q by Molmil
JAK3 kinase domain in complex with 2-Phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1-cyclopropyl-ethyl)-amide
Descriptor: 1-phenylurea, N-[(1S)-1-cyclopropylethyl]-2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-30
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of a series of novel 5H-pyrrolo[2,3-b]pyrazine-2-phenyl ethers, as potent JAK3 kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4IZY
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BU of 4izy by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(4-Methanesulfonyl-piperidin-1-yl)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1H-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
Authors:Kuglstatter, A, Shao, A.
Deposit date:2013-01-30
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties.
Bioorg.Med.Chem.Lett., 23, 2013

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